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. 2021 Aug 4;28:18. doi: 10.1186/s40709-021-00149-2

Table 5.

Possible binding sites of NSP9 against known anti-viral drugs

Drugs Total binding sites (6W4B) NSP9 Replicase of COVID-19
Grazoprevir Known similar target molecule

NS3 protease, NS4a protein,

Hepacivirus C

Binding properties 1 1 Superposition type L
RMSD 0.94 Å
Amino acid targets of drug

66 ILE

59 LYS

62 GLY

No. of residues in known binding 16
Human similar targets 8
Ribavirin Known similar target molecule

RNA polymerase,

Norwalk virus

Binding properties 1 1 Superposition type R
RMSD 0.80 Å
Amino acid targets of drug

36 THR

35 THR

34 ASN

No. of residues in known binding 09
Human similar targets 2
Rimantadine Known similar target molecule

M2, BM2 protein,

Influenza A,B

Binding properties 3 1 Superposition type L
RMSD 0.90 Å
Amino acid targets of drug

109 ALA

106 SER

105 GLY

No. of residues in known binding 9
Human similar targets 0
2 Superposition type R
RMSD 1.10 Å
Amino acid targets of drug

111 VAL

108 VAL

106 SER

No. of residues in known binding 10
Human similar targets 0
3 Superposition type R
RMSD 1.26 Å
Amino acid targets of drug

111 VAL

109 ALA

106 SER

No. of residues in known binding 10
Human similar targets 0
Tipranavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type L
RMSD 1.21 Å
Amino acid targets of drug

16 ALA

26 ASP

27 ASP

No. of residues in known binding 27
Human similar targets 3

Features of different drug binding motifs. HIV-1 Human Immunodeficiency virus 1, RMSD Root Mean Square Deviation, Å angstrom, ILE isoleucine, GLY glycine, VAL valine, ASP aspartic acid, ASN asparagine, ALA alanine, THR threonine, LYS lysine, SER serine